Effects of different electron-phonon couplings on spectral and transport properties of small molecule single-crystal organic semiconductors

Abstract

Spectral and transport properties of small molecule single-crystal organic semiconductors have been theoretically analyzed focusing on oligoacenes, in particular on the series from naphthalene to rubrene and pentacene aiming to show that the inclusion of different electron-phonon couplings is of paramount importance to interpret accurately the properties of prototype organic semiconductors. While, in the case of rubrene, the coupling between charge carriers and low frequency inter-molecular modes is sufficient for a satisfactory description of spectral and transport properties, the inclusion of electron coupling to both low frequency inter-molecular and high frequency intra-molecular vibrational modes is needed to account for the temperature dependence of transport properties in smaller oligoacenes.

18 pages, 5 figures, Review

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• Electron-phonon coupling in APd3O4: A = Ca, Sr, and Sr0.85Li0.15